2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide

C19H17NO3 — CID 40635761

IUPAC2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-2-16(13-8-4-3-5-9-13)20-18(21)15-12-14-10-6-7-11-17(14)23-19(15)22/h3-12,16H,2H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyZYKOXIPUYGENMH-MRXNPFEDSA-N
MW307.35 g/mol
LogP3.67
Rot. Bonds4

About 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide

2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide (PubChem CID 40635761) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
PubChem CID40635761
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-2-16(13-8-4-3-5-9-13)20-18(21)15-12-14-10-6-7-11-17(14)23-19(15)22/h3-12,16H,2H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyZYKOXIPUYGENMH-MRXNPFEDSA-N
XLogP3.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate
CID 7044549
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
(2R)-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]pentanoic acid
CID 119363439
N-[1-(4-butan-2-ylphenyl)propyl]-6-chloro-2-oxochromene-3-carboxamide
CID 4090791
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
3-methoxy-2-[(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 81084500
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide (CID 40635761) is 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide is CC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide?
The InChIKey is ZYKOXIPUYGENMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-16(13-8-4-3-5-9-13)20-18(21)15-12-14-10-6-7-11-17(14)23-19(15)22/h3-12,16H,2H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide?
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide is sourced from PubChem (CID 40635761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).